7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole

C51H32N4 — CID 139321649

About 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole

7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole (PubChem CID 139321649) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole
• PubChem CID: 139321649
• Molecular Formula: C51H32N4
• Molecular Weight: 700.85 g/mol
• Exact Mass: 700.26
• IUPAC Name: 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole
• SMILES: c1ccc(-c2ccc3c4c5ccccc5ccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c5ccccc45)c3c2)cc1
• InChI: InChI=1S/C51H32N4/c1-3-13-33(14-4-1)38-25-27-44-47(32-38)55(46-29-26-35-16-9-10-20-40(35)48(44)46)45-30-28-43(41-21-11-12-22-42(41)45)51-53-49(36-17-5-2-6-18-36)52-50(54-51)39-24-23-34-15-7-8-19-37(34)31-39/h1-32H
• InChIKey: DXAIBEKYMAJAQF-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.85
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole?

The IUPAC name of 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole (CID 139321649) is 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole.

What is the SMILES notation for 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole?

The canonical SMILES for 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole is c1ccc(-c2ccc3c4c5ccccc5ccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c5ccccc45)c3c2)cc1.

What is the InChIKey of 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole?

The InChIKey is DXAIBEKYMAJAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-3-13-33(14-4-1)38-25-27-44-47(32-38)55(46-29-26-35-16-9-10-20-40(35)48(44)46)45-30-28-43(41-21-11-12-22-42(41)45)51-53-49(36-17-5-2-6-18-36)52-50(54-51)39-24-23-34-15-7-8-19-37(34)31-39/h1-32H.

What are the key properties of 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole?

7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole has a molecular weight of 700.85 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole is sourced from PubChem (CID 139321649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).